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Details

Stereochemistry RACEMIC
Molecular Formula C20H18ClNO
Molecular Weight 323.816
Optical Activity ( + / - )
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of (.ALPHA.R,.BETA.S)-.ALPHA.-(3-CHLOROPHENYL)-.ALPHA.-METHYL-.BETA.-PHENYL-2-PYRIDINEETHANOL, (±)-

SMILES

C[C@@](O)([C@@H](C1=CC=CC=C1)C2=NC=CC=C2)C3=CC=CC(Cl)=C3

InChI

InChIKey=SIQJKXNPTOTGHR-PMACEKPBSA-N
InChI=1S/C20H18ClNO/c1-20(23,16-10-7-11-17(21)14-16)19(15-8-3-2-4-9-15)18-12-5-6-13-22-18/h2-14,19,23H,1H3/t19-,20-/m0/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
NSC-174273
Preferred Name English
(.ALPHA.R,.BETA.S)-.ALPHA.-(3-CHLOROPHENYL)-.ALPHA.-METHYL-.BETA.-PHENYL-2-PYRIDINEETHANOL, (±)-
Systematic Name English
2-PYRIDINEETHANOL, .ALPHA.-(3-CHLOROPHENYL)-.ALPHA.-METHYL-.BETA.-PHENYL-, (.ALPHA.R,.BETA.S)-REL-
Systematic Name English
Code System Code Type Description
CAS
22199-90-2
Created by admin on Mon Mar 31 17:46:39 GMT 2025 , Edited by admin on Mon Mar 31 17:46:39 GMT 2025
SUPERSEDED
EPA CompTox
DTXSID20930678
Created by admin on Mon Mar 31 17:46:39 GMT 2025 , Edited by admin on Mon Mar 31 17:46:39 GMT 2025
PRIMARY
CAS
13997-39-2
Created by admin on Mon Mar 31 17:46:39 GMT 2025 , Edited by admin on Mon Mar 31 17:46:39 GMT 2025
NON-SPECIFIC STEREOCHEMISTRY
NSC
174273
Created by admin on Mon Mar 31 17:46:39 GMT 2025 , Edited by admin on Mon Mar 31 17:46:39 GMT 2025
PRIMARY
CAS
59980-71-1
Created by admin on Mon Mar 31 17:46:39 GMT 2025 , Edited by admin on Mon Mar 31 17:46:39 GMT 2025
PRIMARY
PUBCHEM
92445696
Created by admin on Mon Mar 31 17:46:39 GMT 2025 , Edited by admin on Mon Mar 31 17:46:39 GMT 2025
PRIMARY
FDA UNII
CJM37CH69Z
Created by admin on Mon Mar 31 17:46:39 GMT 2025 , Edited by admin on Mon Mar 31 17:46:39 GMT 2025
PRIMARY